6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide

C29H42N6O5 — CID 140726378

About 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide

6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide (PubChem CID 140726378) has the molecular formula C29H42N6O5 and a molecular weight of 554.69 g/mol. Its IUPAC name is 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide
• PubChem CID: 140726378
• Molecular Formula: C29H42N6O5
• Molecular Weight: 554.69 g/mol
• Exact Mass: 554.32
• IUPAC Name: 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide
• SMILES: COC[C@@H](C)Oc1nc(C(=O)CC2CCC2)cc(N2CCC(c3nc(C(N)=O)ccc3OCCN(C)C)CC2)n1
• InChI: InChI=1S/C29H42N6O5/c1-19(18-38-4)40-29-32-23(24(36)16-20-6-5-7-20)17-26(33-29)35-12-10-21(11-13-35)27-25(39-15-14-34(2)3)9-8-22(31-27)28(30)37/h8-9,17,19-21H,5-7,10-16,18H2,1-4H3,(H2,30,37)/t19-/m1/s1
• InChIKey: QQOUPDFFVVAJKD-LJQANCHMSA-N
• XLogP: 3.08
• TPSA: 133.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.69
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide?

The IUPAC name of 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide (CID 140726378) is 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide.

What is the SMILES notation for 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide?

The canonical SMILES for 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide is COC[C@@H](C)Oc1nc(C(=O)CC2CCC2)cc(N2CCC(c3nc(C(N)=O)ccc3OCCN(C)C)CC2)n1.

What is the InChIKey of 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide?

The InChIKey is QQOUPDFFVVAJKD-LJQANCHMSA-N. The full InChI is InChI=1S/C29H42N6O5/c1-19(18-38-4)40-29-32-23(24(36)16-20-6-5-7-20)17-26(33-29)35-12-10-21(11-13-35)27-25(39-15-14-34(2)3)9-8-22(31-27)28(30)37/h8-9,17,19-21H,5-7,10-16,18H2,1-4H3,(H2,30,37)/t19-/m1/s1.

What are the key properties of 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide?

6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide has a molecular weight of 554.69 g/mol, XLogP of 3.08, 14 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-[6-(2-cyclobutylacetyl)-2-[(2R)-1-methoxypropan-2-yl]oxypyrimidin-4-yl]piperidin-4-yl]-5-[2-(dimethylamino)ethoxy]pyridine-2-carboxamide is sourced from PubChem (CID 140726378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).